Molecular and Chemical Formulas

Atoms combine (bond) to form molecules.

Each molecule has a chemical formula.

The chemical formula indicates

– which atoms are found in the molecule, and
– in what proportion they are found.

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 CHEMICAL FORMULA
•  Formula that gives the TOTAL number of elements in a
molecule or formula unit.

EMPIRICAL FORMULA
Chemical formula with the smallest integer subscripts for
a given composition.
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 Molecular weight
To get the molecular
formula, we need more
information.

Need: molecular weight.

MOLAR MASS or FORMULA WEIGHT sum of atomic weights

The connection between experimental property (mass) and moles:

C8H18
8C 12.01 96.08
18H 1.008 18.14

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 PERCENT COMPOSITION

% of element =

What is the mass percent of C in CO2?

C = 12.01 amu O = 16.0 amu
FW =12.01 + 2(16.0) = 44.01 amu

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 PERCENT COMPOSITION

% of element =

I have 2g of a sample that is 54.2% C by mass. How many grams of C

are in the sample?

HINT:
If % C in an unknown substance is 54.2%, a 100g sample of that
substance contains 54.2g of C.

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 Empirical Formula from Analysis
How do we determine the empirical formula?
EXPERIMENT!

•  Find mass of each component in a sample.

•  Use ____________ to find mole ratio of atoms.

•  Mole ratio gives empirical formula

•  Molecular weight (obtained from a separate experiment)

can be used to get

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 Combustion Analysis

Empirical formulas are determined by combustion analysis:

4 g sample of an alcohol produces 7.65 g of CO2 and

4.70 g of H2O upon combustion.
What is the empirical formula of the alcohol?

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 Empirical Formula from % Composition
An analysis of nicotine, a poisonous compound found in
tobacco leaves, shows that it is 74.0%C, 8.65% H and
17.35% N. Its molar mass is 162 g/mol.
What are the empirical and molecular formula of nicotine?

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 What does a formula tell you?

How many atoms are in How many moles of Mg3(PO4)2 are

the formula Mg3(PO4)2 in a 10.0 g sample?
a) 3
a) 0.0380 moles
b) 5
c) 10 b) 0.0595 moles
d) 13 c) 0.0431 moles

How many atoms are in 10.0 g of Mg3(PO4)2?

a) 2.59×1022 atoms
b) 3.58×1022 atoms
c)  2.29×1022 atoms
d)  2.97×1023 atoms

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 Structural Formulas
Empirical and Molecular formulas tell us identity and
quantity of atoms. But how are these atoms connected?

NEXT:
•  Connectivity (Lewis Structures)
•  Deduce shape from connectivity
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 Rules of Valence
To aid in deducing the structure of molecules given
the molecular formula, we use the rules of valence.

Valence of atom is the number of covalent bond that

it typically forms

Rules of valence
Element # Bonds
H 1
C 4
N 3
O,S 2
F, Cl, Br 1
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 Using the rules of valence, structural formulas for
simple molecules can be deduced.

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 Organic Chemistry

The chemistry of compounds containing C

bonded to H.

Millions of organic compounds are known.

Often contains O, N, S, and halogens

They are the main constituents of living matter:

DNA, RNA, proteins, enzymes, …

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 Organic Chemistry
Reasons for large numbers of organic compounds:

1. Carbon atoms can form strong, stable bonds to

other C atoms (thus forming rings, chains, etc.) and
to atoms such as H, O, N, S, halogens. (small size)

2. Carbon atoms form up to 4 bonds simultaneously:

(valence of 4) molecules can be branched.

3. Carbon atoms form multiple bonds with C or with O,

N, S: further structural variations are possible.
(Small size and valence of 4)

STRUCTURE AFFECTS FUNCTION

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 Classes of Organic Compounds
Classification is necessary to manage the large number
of compounds

HYDROCARBONS Simplest organic compounds

Contain only C and H
Classes of Hydrocarbons
1) Alkanes all single bonds

2) Alkenes one or more double bonds

3) Alkynes one or more triple bonds

4) aromatic alternating single, double

bonds in a ring

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 ALKANES
Name Molecular Condensed molecular Lewis
formula formula Structures

methane CH4

ethane C 2H 6 CH3-CH3

propane C 3H 8 CH3CH2CH3

butane C4H10 CH3CH2CH2CH3

pentane C5H12 CH3CH2CH2CH2CH3

In general: CnH2n+2
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 Structure of alkanes
All C atoms have tetrahedral geometry: the
bonds point at the vertices of a tetrahedron.
Bond angle = 109.5°

We can represent the chains as zig-zags

Both of these are

octane (C8H18):
or
an 8 carbon chain

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 What is the molecular formula?

n-octane

Iso-octane

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 ISOMERS

Isomers are compounds that have the same molecular

formula, but different structures

Simplest example: butane (C4H10) 2 isomers

CH3⎯CH2⎯CH2⎯CH3

n-butane iso-butane

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 ISOMERS

Isomers are compounds that have the same molecular

formula, but different structures

pentane has 3 isomers

CH3⎯CH2⎯CH2⎯CH2⎯CH3 n-pentane

iso-pentane Neo-pentane

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 CYCLIC ALKANES
Alkanes can form rings: CnH2n

Examples:
Cyclohexane C6H12
Cyclopentane C5H10

1,1-dimethylcyclobutane

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 Properties and reactions of alkanes
Properties:
Alkanes are flexible: free rotation about each C⎯C bond
Boiling point increases as number of carbons increases

Reactions: Alkanes are relatively inert

C⎯C and C⎯H bonds are very strong
Energy needed to initiate reactions
Substitution reaction

+ Cl2 → + HCl

Combustion reaction: alkanes are fuels

In complete combustion: water and CO2 are products.

CH3 ⎯CH2⎯CH3 + 5O2 → 3CO2 + 4H2O

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